1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride

C14H23Cl2NO2 — CID 170890086

IUPAC1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
SMILESCCOCc1cc(Cl)c(OC)c(CC(N)CC)c1.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-4-12(16)8-11-6-10(9-18-5-2)7-13(15)14(11)17-3;/h6-7,12H,4-5,8-9,16H2,1-3H3;1H
InChIKeyAEUVUEFAMOIALM-UHFFFAOYSA-N
MW308.25 g/mol
LogP3.59
Rot. Bonds7

About 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride

1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride (PubChem CID 170890086) has the molecular formula C14H23Cl2NO2 and a molecular weight of 308.25 g/mol. Its IUPAC name is 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
PubChem CID170890086
Molecular FormulaC14H23Cl2NO2
Molecular Weight308.25 g/mol
Exact Mass307.11
IUPAC Name1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
SMILESCCOCc1cc(Cl)c(OC)c(CC(N)CC)c1.Cl
InChIInChI=1S/C14H22ClNO2.ClH/c1-4-12(16)8-11-6-10(9-18-5-2)7-13(15)14(11)17-3;/h6-7,12H,4-5,8-9,16H2,1-3H3;1H
InChIKeyAEUVUEFAMOIALM-UHFFFAOYSA-N
XLogP3.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
CID 170890050
2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
CID 170888160
1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894010
1-(3,5-dibromo-2-methoxyphenyl)butan-2-amine
CID 170889165
1-[3,5-dichloro-2-(methoxymethoxy)phenyl]butan-2-amine
CID 65364695
1-[5-(ethoxymethyl)-2-propoxyphenyl]butan-2-amine
CID 170890476
1-(5-chloro-4-ethoxy-2,3-dimethylphenyl)butan-2-amine
CID 170890049
1-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]propan-2-amine;hydrochloride
CID 170894041
1-[3-chloro-5-(cyclopropylmethoxymethyl)-2-propoxyphenyl]propan-2-amine;hydrochloride
CID 170893967
1-(3-chloro-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83887889
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride?
The IUPAC name of 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride (CID 170890086) is 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride is CCOCc1cc(Cl)c(OC)c(CC(N)CC)c1.Cl.
What is the InChIKey of 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride?
The InChIKey is AEUVUEFAMOIALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2.ClH/c1-4-12(16)8-11-6-10(9-18-5-2)7-13(15)14(11)17-3;/h6-7,12H,4-5,8-9,16H2,1-3H3;1H.
What are the key properties of 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride?
1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride has a molecular weight of 308.25 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride is sourced from PubChem (CID 170890086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).